5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile

C11H12F2N4O — CID 174277738

IUPAC5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CC(OC(F)F)C1
InChIInChI=1S/C11H12F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-3H2,1H3
InChIKeyTWHUJIKSZJEKJI-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.55
Rot. Bonds4

About 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile

5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile (PubChem CID 174277738) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile
PubChem CID174277738
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile
SMILESCN(c1cnc(C#N)cn1)C1CC(OC(F)F)C1
InChIInChI=1S/C11H12F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-3H2,1H3
InChIKeyTWHUJIKSZJEKJI-UHFFFAOYSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile (CID 174277738) is 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile is CN(c1cnc(C#N)cn1)C1CC(OC(F)F)C1.
What is the InChIKey of 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile?
The InChIKey is TWHUJIKSZJEKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-17(8-2-9(3-8)18-11(12)13)10-6-15-7(4-14)5-16-10/h5-6,8-9,11H,2-3H2,1H3.
What are the key properties of 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile?
5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile has a molecular weight of 254.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)cyclobutyl]-methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 174277738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).